2-(5-bromo-3-pyridinyl)acetic acid

C7H6BrNO2 — CID 2802539

IUPAC2-(5-bromo-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cncc(Br)c1
InChIInChI=1S/C7H6BrNO2/c8-6-1-5(2-7(10)11)3-9-4-6/h1,3-4H,2H2,(H,10,11)
InChIKeyUETIDNDXXGCJCE-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.47
Rot. Bonds2

About 2-(5-bromo-3-pyridinyl)acetic acid

2-(5-bromo-3-pyridinyl)acetic acid (PubChem CID 2802539) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)acetic acid
PubChem CID2802539
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name2-(5-bromo-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cncc(Br)c1
InChIInChI=1S/C7H6BrNO2/c8-6-1-5(2-7(10)11)3-9-4-6/h1,3-4H,2H2,(H,10,11)
InChIKeyUETIDNDXXGCJCE-UHFFFAOYSA-N
XLogP1.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-3-pyridinyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)acetic acid?
The IUPAC name of 2-(5-bromo-3-pyridinyl)acetic acid (CID 2802539) is 2-(5-bromo-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)acetic acid is O=C(O)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)acetic acid?
The InChIKey is UETIDNDXXGCJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c8-6-1-5(2-7(10)11)3-9-4-6/h1,3-4H,2H2,(H,10,11).
What are the key properties of 2-(5-bromo-3-pyridinyl)acetic acid?
2-(5-bromo-3-pyridinyl)acetic acid has a molecular weight of 216.03 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)acetic acid is sourced from PubChem (CID 2802539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).